SCHEMBL16804201

SCHEMBL16804201

COC(=O)C(C(=O)OC)=C1c2ccccc2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.47
IDO1 P14902 1/20 0.41
ALOX5 P09917 2/20 0.40
STK17B O94768 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15470903 0.89 TSHR (0.41) P2RX4IDO1ALOX5ALDH1A1KMT2A
SCHEMBL21908165 0.85 P2RX4 (0.45) P2RX4IDO1ALOX5ALDH1A1KDM4E
SCHEMBL15470937 0.84 IDO1 (0.41) IDO1ALDH1A1KDM4EKMT2A
SCHEMBL15473386 0.81 IDO1 (0.59) P2RX4IDO1ALOX5ALDH1A1KDM4E
SCHEMBL17402099 0.80 P2RX4 (0.41) P2RX4IDO1ALOX5ALDH1A1ATM
SCHEMBL16804198 0.78 MAPT (0.48) IDO1ALDH1A1KDM4EKMT2A
SCHEMBL16804199 0.77 IDO1 (0.38) IDO1L3MBTL1
SCHEMBL15470961 0.76 BCHE (0.46) IDO1ALDH1A1KDM4EL3MBTL1
SCHEMBL10732463 0.73 P2RX4 (0.44) P2RX4ALOX5ALDH1A1KDM4EL3MBTL1
SCHEMBL15470876 0.73 TSHR (0.46) ALDH1A1ATML3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632096-B2 Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen HallStar Beauty and Personal Care Innovations Company (US) 2020-04-28 US disclosed
US-9867800-B2 Method of quenching singlet and triplet excited states of pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds have electron withdrawing groups, to reduce generation of reactive oxygen species, particularly singlet oxygen HALLSTAR INNOVATIONS CORP. (US) 2018-01-16 US disclosed
US-9867800-B2 Method of quenching singlet and triplet excited states of pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds have electron withdrawing groups, to reduce generation of reactive oxygen species, particularly singlet oxygen HALLSTAR INNOVATIONS CORP. (US) 2018-01-16 US disclosed
US-20150164852-A1 METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN HALLSTAR INNOVATIONS CORP. (US) 2015-06-18 US disclosed
US-20150164852-A1 METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN HALLSTAR INNOVATIONS CORP. (US) 2015-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10632096-B2 Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen CBR3, NOX3, CCND3 P2RX4 2907/4885IDO1 3364/4885ALOX5 645/4885
US-20150164852-A1 METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN NOX3, CBR3, CCR3 P2RX4 2144/4885IDO1 2578/4885ALOX5 1067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.